2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol

C16H18O3 — CID 150256890

IUPAC2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol
SMILESCCC(c1ccc(O)cc1)C(O)(O)c1ccccc1
InChIInChI=1S/C16H18O3/c1-2-15(12-8-10-14(17)11-9-12)16(18,19)13-6-4-3-5-7-13/h3-11,15,17-19H,2H2,1H3
InChIKeyGASZMNYSLMJIAT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol

2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol (PubChem CID 150256890) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol
PubChem CID150256890
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol
SMILESCCC(c1ccc(O)cc1)C(O)(O)c1ccccc1
InChIInChI=1S/C16H18O3/c1-2-15(12-8-10-14(17)11-9-12)16(18,19)13-6-4-3-5-7-13/h3-11,15,17-19H,2H2,1H3
InChIKeyGASZMNYSLMJIAT-UHFFFAOYSA-N
XLogP2.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol
CID 150432163
3-(4-hydroxyphenyl)-2-methyl-2-phenoxypentanoic acid
CID 150023233
1,1,2-triphenylbutylphosphane
CID 19027387
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
CID 139051359
[2-[1,1-dihydroxy-2-(4-hydroxyphenyl)butyl]-3-hydroxyphenyl] dihydrogen phosphate
CID 22673484
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677
4-(4-ethyl-2-hydroxyhexan-2-yl)phenol
CID 83075145
2-phenylpropan-2-yl 4-(4-hydroxyphenyl)-2,2-dimethylhexanoate
CID 20813241
2,2-bis(4-hydroxyphenyl)-3-phenylhexane-1,3-diol
CID 174729195
benzene;phenol;propane
CID 157176896

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol?
The IUPAC name of 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol (CID 150256890) is 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol is CCC(c1ccc(O)cc1)C(O)(O)c1ccccc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol?
The InChIKey is GASZMNYSLMJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-2-15(12-8-10-14(17)11-9-12)16(18,19)13-6-4-3-5-7-13/h3-11,15,17-19H,2H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol?
2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol has a molecular weight of 258.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol is sourced from PubChem (CID 150256890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).